12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene

C44H39N3 — CID 144548978

IUPAC12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene
SMILESC=CC.CN1c2cc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)C(C)(C)c4ccccc4-6)c3)ccc2NC1c1ccccc1
InChIInChI=1S/C41H33N3.C3H6/c1-41(2)34-18-9-7-16-30(34)32-21-22-33-31-17-8-10-19-36(31)44(39(33)38(32)41)29-15-11-14-27(24-29)28-20-23-35-37(25-28)43(3)40(42-35)26-12-5-4-6-13-26;1-3-2/h4-25,40,42H,1-3H3;3H,1H2,2H3
InChIKeyGLJHRJYGCBZPMK-UHFFFAOYSA-N
MW609.82 g/mol
LogP11.51
Rot. Bonds3

About 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene

12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene (PubChem CID 144548978) has the molecular formula C44H39N3 and a molecular weight of 609.82 g/mol. Its IUPAC name is 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene.

Molecular Properties

Compound Name12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene
PubChem CID144548978
Molecular FormulaC44H39N3
Molecular Weight609.82 g/mol
Exact Mass609.31
IUPAC Name12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene
SMILESC=CC.CN1c2cc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)C(C)(C)c4ccccc4-6)c3)ccc2NC1c1ccccc1
InChIInChI=1S/C41H33N3.C3H6/c1-41(2)34-18-9-7-16-30(34)32-21-22-33-31-17-8-10-19-36(31)44(39(33)38(32)41)29-15-11-14-27(24-29)28-20-23-35-37(25-28)43(3)40(42-35)26-12-5-4-6-13-26;1-3-2/h4-25,40,42H,1-3H3;3H,1H2,2H3
InChIKeyGLJHRJYGCBZPMK-UHFFFAOYSA-N
XLogP11.51
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.82
LogP ≤ 511.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
CID 144548979
7,7-dimethyl-5-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-b]carbazole
CID 144549175
12,12-dimethyl-11-naphthalen-1-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-a]carbazole
CID 121344070
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 130181306
12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
CID 90324685
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126630778
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
11-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472124

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene?
The IUPAC name of 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene (CID 144548978) is 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene.
What is the SMILES notation for 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene?
The canonical SMILES for 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene is C=CC.CN1c2cc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)C(C)(C)c4ccccc4-6)c3)ccc2NC1c1ccccc1.
What is the InChIKey of 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene?
The InChIKey is GLJHRJYGCBZPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N3.C3H6/c1-41(2)34-18-9-7-16-30(34)32-21-22-33-31-17-8-10-19-36(31)44(39(33)38(32)41)29-15-11-14-27(24-29)28-20-23-35-37(25-28)43(3)40(42-35)26-12-5-4-6-13-26;1-3-2/h4-25,40,42H,1-3H3;3H,1H2,2H3.
What are the key properties of 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene?
12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene has a molecular weight of 609.82 g/mol, XLogP of 11.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole;prop-1-ene is sourced from PubChem (CID 144548978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).